A library of crystalline matter.
An open, high-throughput database of DFT-relaxed inorganic crystals — optimized geometries, convex hulls, phonons, and the generative models trained to discover more of them.
If you would like to have immediate access to still unreleased data, please contact us directly.
Our crystal generative model, Matra-Genoa.
II.PBE, PBEsol, SCAN and MatPES geometries, convex hulls, phonons, benchmarks and older datasets.
III.Query the database directly by composition, space group and stability.
IV.Convex-hull phase diagrams computed on demand, 2–4 elements at a time.
V.A few notable materials, one application at a time.
VI.The computing centres and grants that make Alexandria possible.
VII.The people behind the database, its license, and how to cite it.